SCHEMBL10034646

SCHEMBL10034646

Cc1nc(N2CCNC[C@H]2C)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.49
HTR2A P28223 4/20 0.49
HTR2B P41595 2/20 0.49
KCNH2 Q12809 2/20 0.46
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
ALK Q9UM73 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
ROCK2 O75116 1/20 0.40
GSK3B P49841 2/20 0.39
LATS1 O95835 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10034652 1.00 HTR2C (0.49) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL15217043 0.85 HTR2C (0.47) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL15219155 0.82 HTR2C (0.48) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL21262057 0.79 HTR2C (0.50) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL22578950 0.79 HTR2C (0.50) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL26669784 0.75 PIM1 (0.45) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL15858056 0.75 HTR2C (0.45) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL16422691 0.75 HTR3E (0.50) HTR2CHTR2A
SCHEMBL18291384 0.75 HTR2C (0.44) HTR2CHTR2AHTR2BKCNH2PIM1
SCHEMBL6766547 0.74 HTR2C (0.57) HTR2CHTR2APIM1PIM3PIM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822448-B2 Pyrazoloquinoline compound ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
EP-2615089-A1 PYRAZOLOQUINOLINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP disclosed
WO-2012033144-A1 PYRAZOLOQUINOLINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 WO disclosed